8-tert-butyl-5-[3-(8-tert-butyl-10,10-dimethylindeno[1,2-b]indol-5-yl)-5-chlorophenyl]-10,10-dimethylindeno[1,2-b]indole;4,34-ditert-butyl-19-chloro-8,8,30,30-tetramethyl-16,22-diaza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2,4,6(39),7(15),9,11,13,17,19,21(37),23(31),24,26,28,32(38),33,35-heptadecaene

C96H91BCl2N4 — CID 165066440

About 8-tert-butyl-5-[3-(8-tert-butyl-10,10-dimethylindeno[1,2-b]indol-5-yl)-5-chlorophenyl]-10,10-dimethylindeno[1,2-b]indole;4,34-ditert-butyl-19-chloro-8,8,30,30-tetramethyl-16,22-diaza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2,4,6(39),7(15),9,11,13,17,19,21(37),23(31),24,26,28,32(38),33,35-heptadecaene

8-tert-butyl-5-[3-(8-tert-butyl-10,10-dimethylindeno[1,2-b]indol-5-yl)-5-chlorophenyl]-10,10-dimethylindeno[1,2-b]indole;4,34-ditert-butyl-19-chloro-8,8,30,30-tetramethyl-16,22-diaza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2,4,6(39),7(15),9,11,13,17,19,21(37),23(31),24,26,28,32(38),33,35-heptadecaene (PubChem CID 165066440) has the molecular formula C96H91BCl2N4 and a molecular weight of 1382.53 g/mol. Its IUPAC name is 8-tert-butyl-5-[3-(8-tert-butyl-10,10-dimethylindeno[1,2-b]indol-5-yl)-5-chlorophenyl]-10,10-dimethylindeno[1,2-b]indole;4,34-ditert-butyl-19-chloro-8,8,30,30-tetramethyl-16,22-diaza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2,4,6(39),7(15),9,11,13,17,19,21(37),23(31),24,26,28,32(38),33,35-heptadecaene.

Molecular Properties

• Compound Name: 8-tert-butyl-5-[3-(8-tert-butyl-10,10-dimethylindeno[1,2-b]indol-5-yl)-5-chlorophenyl]-10,10-dimethylindeno[1,2-b]indole;4,34-ditert-butyl-19-chloro-8,8,30,30-tetramethyl-16,22-diaza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2,4,6(39),7(15),9,11,13,17,19,21(37),23(31),24,26,28,32(38),33,35-heptadecaene
• PubChem CID: 165066440
• Molecular Formula: C96H91BCl2N4
• Molecular Weight: 1382.53 g/mol
• Exact Mass: 1380.67
• IUPAC Name: 8-tert-butyl-5-[3-(8-tert-butyl-10,10-dimethylindeno[1,2-b]indol-5-yl)-5-chlorophenyl]-10,10-dimethylindeno[1,2-b]indole;4,34-ditert-butyl-19-chloro-8,8,30,30-tetramethyl-16,22-diaza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2,4,6(39),7(15),9,11,13,17,19,21(37),23(31),24,26,28,32(38),33,35-heptadecaene
• SMILES: CC(C)(C)c1cc2c3c(c1)c1c(n3-c3cc(Cl)cc4c3B2c2cc(C(C)(C)C)cc3c5c(n-4c23)-c2ccccc2C5(C)C)-c2ccccc2C1(C)C.CC(C)(C)c1ccc2c(c1)c1c(n2-c2cc(Cl)cc(-n3c4c(c5cc(C(C)(C)C)ccc53)C(C)(C)c3ccccc3-4)c2)-c2ccccc2C1(C)C
• InChI: InChI=1S/C48H44BClN2.C48H47ClN2/c1-45(2,3)25-19-30-38-43(28-15-11-13-17-32(28)47(38,7)8)51-36-23-27(50)24-37-40(36)49(34(21-25)41(30)51)35-22-26(46(4,5)6)20-31-39-44(52(37)42(31)35)29-16-12-14-18-33(29)48(39,9)10;1-45(2,3)28-19-21-39-35(23-28)41-43(33-15-11-13-17-37(33)47(41,7)8)50(39)31-25-30(49)26-32(27-31)51-40-22-20-29(46(4,5)6)24-36(40)42-44(51)34-16-12-14-18-38(34)48(42,9)10/h11-24H,1-10H3;11-27H,1-10H3
• InChIKey: SARLBKSBJAAWTF-UHFFFAOYSA-N
• XLogP: 24.01
• TPSA: 19.72 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1382.53
LogP ≤ 5	24.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-5-[3-(8-tert-butyl-10,10-dimethylindeno[1,2-b]indol-5-yl)-5-chlorophenyl]-10,10-dimethylindeno[1,2-b]indole;4,34-ditert-butyl-19-chloro-8,8,30,30-tetramethyl-16,22-diaza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2,4,6(39),7(15),9,11,13,17,19,21(37),23(31),24,26,28,32(38),33,35-heptadecaene?

The IUPAC name of 8-tert-butyl-5-[3-(8-tert-butyl-10,10-dimethylindeno[1,2-b]indol-5-yl)-5-chlorophenyl]-10,10-dimethylindeno[1,2-b]indole;4,34-ditert-butyl-19-chloro-8,8,30,30-tetramethyl-16,22-diaza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2,4,6(39),7(15),9,11,13,17,19,21(37),23(31),24,26,28,32(38),33,35-heptadecaene (CID 165066440) is 8-tert-butyl-5-[3-(8-tert-butyl-10,10-dimethylindeno[1,2-b]indol-5-yl)-5-chlorophenyl]-10,10-dimethylindeno[1,2-b]indole;4,34-ditert-butyl-19-chloro-8,8,30,30-tetramethyl-16,22-diaza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2,4,6(39),7(15),9,11,13,17,19,21(37),23(31),24,26,28,32(38),33,35-heptadecaene.

What is the SMILES notation for 8-tert-butyl-5-[3-(8-tert-butyl-10,10-dimethylindeno[1,2-b]indol-5-yl)-5-chlorophenyl]-10,10-dimethylindeno[1,2-b]indole;4,34-ditert-butyl-19-chloro-8,8,30,30-tetramethyl-16,22-diaza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2,4,6(39),7(15),9,11,13,17,19,21(37),23(31),24,26,28,32(38),33,35-heptadecaene?

The canonical SMILES for 8-tert-butyl-5-[3-(8-tert-butyl-10,10-dimethylindeno[1,2-b]indol-5-yl)-5-chlorophenyl]-10,10-dimethylindeno[1,2-b]indole;4,34-ditert-butyl-19-chloro-8,8,30,30-tetramethyl-16,22-diaza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2,4,6(39),7(15),9,11,13,17,19,21(37),23(31),24,26,28,32(38),33,35-heptadecaene is CC(C)(C)c1cc2c3c(c1)c1c(n3-c3cc(Cl)cc4c3B2c2cc(C(C)(C)C)cc3c5c(n-4c23)-c2ccccc2C5(C)C)-c2ccccc2C1(C)C.CC(C)(C)c1ccc2c(c1)c1c(n2-c2cc(Cl)cc(-n3c4c(c5cc(C(C)(C)C)ccc53)C(C)(C)c3ccccc3-4)c2)-c2ccccc2C1(C)C.

What is the InChIKey of 8-tert-butyl-5-[3-(8-tert-butyl-10,10-dimethylindeno[1,2-b]indol-5-yl)-5-chlorophenyl]-10,10-dimethylindeno[1,2-b]indole;4,34-ditert-butyl-19-chloro-8,8,30,30-tetramethyl-16,22-diaza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2,4,6(39),7(15),9,11,13,17,19,21(37),23(31),24,26,28,32(38),33,35-heptadecaene?

The InChIKey is SARLBKSBJAAWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H44BClN2.C48H47ClN2/c1-45(2,3)25-19-30-38-43(28-15-11-13-17-32(28)47(38,7)8)51-36-23-27(50)24-37-40(36)49(34(21-25)41(30)51)35-22-26(46(4,5)6)20-31-39-44(52(37)42(31)35)29-16-12-14-18-33(29)48(39,9)10;1-45(2,3)28-19-21-39-35(23-28)41-43(33-15-11-13-17-37(33)47(41,7)8)50(39)31-25-30(49)26-32(27-31)51-40-22-20-29(46(4,5)6)24-36(40)42-44(51)34-16-12-14-18-38(34)48(42,9)10/h11-24H,1-10H3;11-27H,1-10H3.

What are the key properties of 8-tert-butyl-5-[3-(8-tert-butyl-10,10-dimethylindeno[1,2-b]indol-5-yl)-5-chlorophenyl]-10,10-dimethylindeno[1,2-b]indole;4,34-ditert-butyl-19-chloro-8,8,30,30-tetramethyl-16,22-diaza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2,4,6(39),7(15),9,11,13,17,19,21(37),23(31),24,26,28,32(38),33,35-heptadecaene?

8-tert-butyl-5-[3-(8-tert-butyl-10,10-dimethylindeno[1,2-b]indol-5-yl)-5-chlorophenyl]-10,10-dimethylindeno[1,2-b]indole;4,34-ditert-butyl-19-chloro-8,8,30,30-tetramethyl-16,22-diaza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2,4,6(39),7(15),9,11,13,17,19,21(37),23(31),24,26,28,32(38),33,35-heptadecaene has a molecular weight of 1382.53 g/mol, XLogP of 24.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-tert-butyl-5-[3-(8-tert-butyl-10,10-dimethylindeno[1,2-b]indol-5-yl)-5-chlorophenyl]-10,10-dimethylindeno[1,2-b]indole;4,34-ditert-butyl-19-chloro-8,8,30,30-tetramethyl-16,22-diaza-1-boraundecacyclo[19.15.1.12,6.122,32.07,15.09,14.017,37.023,31.024,29.016,39.036,38]nonatriaconta-2,4,6(39),7(15),9,11,13,17,19,21(37),23(31),24,26,28,32(38),33,35-heptadecaene is sourced from PubChem (CID 165066440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).